methyl 2,4-dimethyl-5-[2-(1-phenylimidazol-2-yl)sulfanylpropanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-[2-(1-phenylimidazol-2-yl)sulfanylpropanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[2-(1-phenylimidazol-2-yl)sulfanylpropanoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[1-oxo-2-[(1-phenyl-2-imidazolyl)thio]propyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[2-(1-phenylimidazol-2-yl)sulfanylpropanoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-[(1-phenylimidazol-2-yl)thio]propanoyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NC=CN2C3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NC=CN2C3=CC=CC=C3

InChI

InChI=1S/C20H21N3O3S/c1-12-16(19(25)26-4)13(2)22-17(12)18(24)14(3)27-20-21-10-11-23(20)15-8-6-5-7-9-15/h5-11,14,22H,1-4H3